(+/-)-3-amino-2-benzyl-5-methyl-1-phenyl-hexan-2-ol | 79868-81-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (+/-)-3-amino-2-benzyl-5-methyl-1-phenyl-hexan-2-ol
• 英文别名: 2-amino-4-methyl-1,1-dibenzylpentanol；3-Amino-2-benzyl-5-methyl-1-phenylhexan-2-ol
• CAS: 79868-81-8
• 化学式: C₂₀H₂₇NO
• 分子量: 297.44
• InChiKey: DUANDTPHSQKUFN-UHFFFAOYSA-N

物化性质

• 熔点：
  89-90 °C(Solv: ethanol (64-17-5))
• 沸点：
  455.4±45.0 °C(Predicted)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苄基氯化镁 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 (+/-)-3-amino-2-benzyl-5-methyl-1-phenyl-hexan-2-ol
  参考文献：
  名称：

  Bettzieche; Ehrlich, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1926, vol. 160, p. 10

  摘要：

  DOI：

文献信息

• Condensation Reaction by Metal Catalyst
  申请人：Mashima Kazushi

  公开号：US20090198070A1

  公开（公告）日：2009-08-06

  The invention relates to a method for producing an azoline compound represented by the general formula (3): wherein R 1 represents an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted alkoxycarbonyl group, a halogen atom, a substituted amino group, a substituted carbamoyl group or an optionally substituted heterocyclic group; R 3 , R 4 , R 5 and R 6 may be the same or different and each represents a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted alkoxy group, an optionally substituted alkoxycarbonyl group, a halogen atom, a substituted amino group, a substituted carbamoyl group or an optionally substituted heterocyclic group; two arbitrary groups selected from R 3 , R 4 , R 5 and R 6 may bond to each other to form a ring; and Z 1 represents an oxygen atom, a sulfur atom or a selenium atom; comprising reacting a carboxylic acid or a carboxylic acid derivative represented by the general formula (1): R 1 CO 2 R 2 (1) wherein R 1 is as defined above; R 2 represents a hydrogen atom, an optionally substituted alkyl group or an optionally substituted aryl group; and R 1 and R 2 may bond to each other to form a ring; with an aminochalcogenide represented by the general formula (2): wherein R 3 , R 4 , R 5 , R 6 and Z 1 are as defined above; in the presence of a compound containing a group 12 metal element in the periodic table.

  本发明涉及一种制备由通式（3）表示的氮杂环化合物的方法：其中R1表示可选取代的烃基、可选取代的烷氧基、可选取代的烷氧羰基、卤素原子、取代的氨基基团、取代的氨基甲酰基团或可选取代的杂环基团；R3、R4、R5和R6可以相同也可以不同，每个表示氢原子、可选取代的烃基、可选取代的烷氧基、可选取代的烷氧羰基、卤素原子、取代的氨基基团、取代的氨基甲酰基团或可选取代的杂环基团；从R3、R4、R5和R6中任选两个基团可以结合形成环；Z1表示氧原子、硫原子或硒原子；包括在周期表中含有12号族金属元素的化合物存在下，将由通式（1）表示的羧酸或羧酸衍生物与由通式（2）表示的氨基硫、氨基硒或氨基氧化合物反应。其中，R1、R2、R3、R4、R5、R6和Z1的含义如上所述。
• Optically active amino alcohols and their production
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0075868A2

  公开（公告）日：1983-04-06

  An optically active amino alcohol of the formula: wherein R' is a lower alkyl group, a benzyl group or a phenyl group, R2 is a benzyl group, a phenyl group or a phenyl group substituted with at least one of lower alkyl and lower alkoxy, R3 and R4 are each a hydrogen atom, a lower alkyl group or a phenyl group and the carbon atom accompanied by an asterisk (*) indicates an asymmetric carbon atom, which is useful as a chiral reagent for asymmtric synthesis of intermediates in the production of biotin.

  一种光学活性氨基醇，其式如下：其中 R' 为低级烷基、苄基或苯基，R2 为苄基、苯基或被低级烷基和低级烷氧基中至少一种取代的苯基，R3 和 R4 各为氢原子、低级烷基或苯基，星号（*）表示不对称碳原子，可用作手性试剂，用于生物素生产中间体的异构合成。
• METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1698616A1

  公开（公告）日：2006-09-06

  It is provided that a method for producing an optically active bisamidoalcohol compound represented by the formula (3): wherein R1 represents a C1-6 alkyl group, an optionally substituted phenyl group, an optionally substituted aralkyl group or a hydrogen atom, or two R1s, which are bonded to the same carbon atom, are bonded to form a ring together with the carbon atom to which they are bonded, R2 represents a C1-6 alkyl group, an optionally substituted phenyl group, a 1-naphthyl group, a 2-naphthyl group or an optionally substituted aralkyl group, R3 and R4 are the same or different, and each represents a hydrogen atom or C1-3 alkyl group, m represents an integer of 0 to 2, and * represents an asymmetric center, which comprises reacting an optically active aminoalcohol compound represented by the formula (1): wherein R1, R2 and * are as defined above, with a diester compound represented by the formula (2): wherein R3, R4 and m are as defined above and R5 represents a C1-3 alkyl group, in the presence of a lithium compound.

  本发明提供了一种生产由式（3）代表的光学活性双氨基醇化合物的方法： 其中 R1 代表 C1-6 烷基、任选取代的苯基、任选取代的芳烷基或氢原子，或两个 R1 与同一碳原子键合，与其键合的碳原子一起形成环、 R2 代表 C1-6 烷基、任选取代的苯基、1-萘基、2-萘基或任选取代的芳基、 R3 和 R4 相同或不同，各自代表氢原子或 C1-3 烷基、 m 代表 0 至 2 的整数，以及 * 代表不对称中心，其中包括与由式（1）代表的光学活性氨基醇化合物反应： 其中 R1、R2 和 * 如上定义、 与式 (2) 所代表的二酯化合物反应： 其中 R3、R4 和 m 如上定义，R5 代表 C1-3 烷基、 在锂化合物存在下。
• METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1698617A1

  公开（公告）日：2006-09-06

  It is provided to an optically active cycloalkylidenebisamidoalcohol compound represented by the formula (3): wherein R1 represents a C1-6 alkyl group, an optionally substituted phenyl group, an optionally substituted aralkyl group or a hydrogen atom, or two R1s, which are bonded to the same carbon atom, are bonded to form a ring together with the carbon atom to which they are bonded, R2 represents a C1-6 alkyl group, an optionally substituted aralkyl group or an optionally substituted phenyl group and * represents an asymmetric center, a method for producing it and a method for producing an optically active cycloalkylidenebisoxazoline compound represented by the formula (4): wherein R1, R2 and * are as defined above, using thereof.

  提供了一种由式（3）代表的具有光学活性的环烷基亚氨基双酰胺醇化合物： 其中R1代表C1-6烷基、任选取代的苯基、任选取代的芳烷基或氢原子，或两个R1，它们键合到同一个碳原子上，与它们所键合的碳原子一起形成一个环，R2代表C1-6烷基、任选取代的芳烷基或任选取代的苯基，*代表一个不对称中心，还提供了一种生产该化合物的方法和一种生产由式(4)表示的光学活性环烷亚基双噁唑啉化合物的方法： 其中 R1、R2 和 * 如上文所定义，使用它们。
• CONDENSATION REACTION BY METAL CATALYST
  申请人：Takasago International Corporation

  公开号：EP1958940B1

  公开（公告）日：2013-06-26